| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 24 | Yes |
Popular Name: 3-butyl-7-methyl-8-(2-pyridylsulfanylmethyl)purine-2,6-dione 3-butyl-7-methyl-8-(2-pyridylsul…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.88 | -2.26 | -9.97 | 1 | 7 | 0 | 85 | 345.428 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | -2.04 | -37.18 | 2 | 7 | 1 | 86 | 346.436 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | -2.12 | -45.3 | 2 | 7 | 1 | 86 | 346.436 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | -1.9 | -104.92 | 3 | 7 | 2 | 88 | 347.444 | 6 | ↓ |
